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1,4,7,13,17,21-Hexakis(P-tolylsulfonyl)-1,4,7,13,17,21-hexaaza-10,24-dioxa-cyclohexacosane

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1,4,7,13,17,21-Hexakis(P-tolylsulfonyl)-1,4,7,13,17,21-hexaaza-10,24-dioxa-cyclohexacosane
SpectraBase Compound ID J0uKP7Vlu4Q
InChI InChI=1S/C60H78N6O14S6/c1-49-9-21-55(22-10-49)81(67,68)61-33-7-35-62(82(69,70)56-23-11-50(2)12-24-56)41-45-79-47-43-65(85(75,76)59-29-17-53(5)18-30-59)39-37-64(84(73,74)58-27-15-52(4)16-28-58)38-40-66(86(77,78)60-31-19-54(6)20-32-60)44-48-80-46-42-63(36-8-34-61)83(71,72)57-25-13-51(3)14-26-57/h9-32H,7-8,33-48H2,1-6H3
InChIKey IYVCAVJCPZYKEG-UHFFFAOYSA-N
Mol Weight 1299.7 g/mol
Molecular Formula C60H78N6O14S6
Exact Mass 1298.390028 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Cq4Xz8AOOGu
Name 1,4,7,13,17,21-Hexakis(P-tolylsulfonyl)-1,4,7,13,17,21-hexaaza-10,24-dioxa-cyclohexacosane
CAS Registry Number 110661-81-9
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Formula C60H78N6O14S6
InChI InChI=1S/C60H78N6O14S6/c1-49-9-21-55(22-10-49)81(67,68)61-33-7-35-62(82(69,70)56-23-11-50(2)12-24-56)41-45-79-47-43-65(85(75,76)59-29-17-53(5)18-30-59)39-37-64(84(73,74)58-27-15-52(4)16-28-58)38-40-66(86(77,78)60-31-19-54(6)20-32-60)44-48-80-46-42-63(36-8-34-61)83(71,72)57-25-13-51(3)14-26-57/h9-32H,7-8,33-48H2,1-6H3
InChIKey IYVCAVJCPZYKEG-UHFFFAOYSA-N
Instrument Name Bruker WP-200
Literature Reference M.W. Hosseini, J.M. Lehn, J. Am. Chem. Soc. 109, 7047 (1987).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3